N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine

C9H19N5S2 — CID 112664455

IUPACN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)Cc1nnc(NN)s1
InChIInChI=1S/C9H19N5S2/c1-4-7(6-15-3)14(2)5-8-12-13-9(11-10)16-8/h7H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyWNULZTZUFVWVDD-UHFFFAOYSA-N
MW261.42 g/mol
LogP1.40
Rot. Bonds7

About N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine (PubChem CID 112664455) has the molecular formula C9H19N5S2 and a molecular weight of 261.42 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
PubChem CID112664455
Molecular FormulaC9H19N5S2
Molecular Weight261.42 g/mol
Exact Mass261.11
IUPAC NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)Cc1nnc(NN)s1
InChIInChI=1S/C9H19N5S2/c1-4-7(6-15-3)14(2)5-8-12-13-9(11-10)16-8/h7H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyWNULZTZUFVWVDD-UHFFFAOYSA-N
XLogP1.40
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine (CID 112664455) is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine is CCC(CSC)N(C)Cc1nnc(NN)s1.
What is the InChIKey of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The InChIKey is WNULZTZUFVWVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5S2/c1-4-7(6-15-3)14(2)5-8-12-13-9(11-10)16-8/h7H,4-6,10H2,1-3H3,(H,11,13).
What are the key properties of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine has a molecular weight of 261.42 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 112664455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).